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yangnianleaf

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band gap ºÍ optical band gap ÊÇÒ»¸öÒâ˼Âð£¿
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jpchou

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fzx2008: ½ð±Ò+5, ллָµ¼ 2014-10-30 18:31:34
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fundamental bandgap (??B?????I???????????^?? bandgap or energy gap)
???x??: ???????????????????¦Ê???????A
??????f????? bandgap ????? -> VBM - CBM
   VBM: valence band maximum
   CBM: conduction band minimum
DFT ????r??
???????^ Eg = I - A
                     = E(N+1) + E(N-1) - 2E(N)
????? bandgap (Eg)
   I: ionization potential
   A: electron affinity


optical bandgap (??W?I?????P)
???x??: ?????¦Ã? ??????? (electron-hole pair) ???§³????????
              ??r?? ??????? ????????B?? (bounded)

electronic bandgap (??W?I?????P?????? transport gap)
???x??: ?????¦Ã? ???????
              ?K??? ?????? ?K?????????? (unbounded)


?????Y??
http://en.wikipedia.org/wiki/Band_gap
2Â¥2014-10-30 07:06:17
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